SCHEMBL5233246

SCHEMBL5233246

NC1(CC=O)CN(c2ccc(-c3ccc(C(F)(F)F)cc3)cn2)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
KCNH2 Q12809 9/20 0.40
DGAT1 O75907 9/20 0.40
CYP2C9 P11712 3/20 0.40
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ABL1 P00519 1/20 0.39
MAPT P10636 4/20 0.38
HTT P42858 1/20 0.38
SLC6A7 Q99884 1/20 0.38
ADORA2A P29274 1/20 0.37
SOAT1 P35610 1/20 0.37
PKM P14618 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5234482 0.90 MGLL (0.46) MGLLKCNH2DGAT1CYP2C9CYP3A4
SCHEMBL5238354 0.84 MAPT (0.40) MGLLKCNH2DGAT1CYP2C9CYP3A4
SCHEMBL5236239 0.83 SMN1; SMN2 (0.41) MGLLKCNH2DGAT1CYP2C9CYP3A4
SCHEMBL5233237 0.81 SMN1; SMN2 (0.44) MGLLKCNH2DGAT1CYP2C9SMN1; SMN2
SCHEMBL5233588 0.81 DGAT1 (0.41) MGLLKCNH2DGAT1CYP2C9CYP3A4
SCHEMBL5237586 0.79 KDM4E (0.40) MGLLKCNH2DGAT1CYP2C9CYP3A4
SCHEMBL5238349 0.76 MAPT (0.45) MGLLKCNH2DGAT1CYP2C9SMN1; SMN2
SCHEMBL5236231 0.76 MAPT (0.43) MGLLKCNH2DGAT1CYP2C9SMN1; SMN2
SCHEMBL5237027 0.75 MGLL (0.44) MGLLKCNH2DGAT1CYP2C9CYP3A4
SCHEMBL5236715 0.75 KDM1A (0.39) KCNH2CYP2C9LMNAKDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed